[4-[methylamino(phenyl)methyl]phenyl]methanediamine

C15H19N3 — CID 165139654

IUPAC[4-[methylamino(phenyl)methyl]phenyl]methanediamine
SMILESCNC(c1ccccc1)c1ccc(C(N)N)cc1
InChIInChI=1S/C15H19N3/c1-18-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h2-10,14-15,18H,16-17H2,1H3
InChIKeyCBHYZOBCFXTGGW-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.91
Rot. Bonds4

About [4-[methylamino(phenyl)methyl]phenyl]methanediamine

[4-[methylamino(phenyl)methyl]phenyl]methanediamine (PubChem CID 165139654) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is [4-[methylamino(phenyl)methyl]phenyl]methanediamine.

Molecular Properties

Compound Name[4-[methylamino(phenyl)methyl]phenyl]methanediamine
PubChem CID165139654
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name[4-[methylamino(phenyl)methyl]phenyl]methanediamine
SMILESCNC(c1ccccc1)c1ccc(C(N)N)cc1
InChIInChI=1S/C15H19N3/c1-18-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h2-10,14-15,18H,16-17H2,1H3
InChIKeyCBHYZOBCFXTGGW-UHFFFAOYSA-N
XLogP1.91
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591
CID 11101944
CID 11101944
N-methyl-1-(5-methylfuran-3-yl)-1-phenylmethanamine
CID 114819899
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanamine
CID 43607979
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-phenylmethanamine
CID 43481511
2-hydroxy-2-methyl-1-[4-[methylamino(phenyl)methyl]phenyl]propan-1-one
CID 68740587
1-[4-(cyclopenten-1-yl)phenyl]-N-methyl-1-phenylmethanamine
CID 155571905
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
(1S,2S)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 6711442
(1R,2R)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 59302389

Frequently Asked Questions

What is the IUPAC name of [4-[methylamino(phenyl)methyl]phenyl]methanediamine?
The IUPAC name of [4-[methylamino(phenyl)methyl]phenyl]methanediamine (CID 165139654) is [4-[methylamino(phenyl)methyl]phenyl]methanediamine.
What is the SMILES notation for [4-[methylamino(phenyl)methyl]phenyl]methanediamine?
The canonical SMILES for [4-[methylamino(phenyl)methyl]phenyl]methanediamine is CNC(c1ccccc1)c1ccc(C(N)N)cc1.
What is the InChIKey of [4-[methylamino(phenyl)methyl]phenyl]methanediamine?
The InChIKey is CBHYZOBCFXTGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-14(11-5-3-2-4-6-11)12-7-9-13(10-8-12)15(16)17/h2-10,14-15,18H,16-17H2,1H3.
What are the key properties of [4-[methylamino(phenyl)methyl]phenyl]methanediamine?
[4-[methylamino(phenyl)methyl]phenyl]methanediamine has a molecular weight of 241.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methylamino(phenyl)methyl]phenyl]methanediamine is sourced from PubChem (CID 165139654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).